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Target
Beta-lactamase
Ligand
BDBM51969
Substrate
n/a
Meas. Tech.
Epi-absorbance-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of IMP-1 metallo-beta-lactamase.
IC50
59640±n/a nM
Citation
 PubChem, PC Epi-absorbance-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of IMP-1 metallo-beta-lactamase. PubChem Bioassay (2009)[AID] 
Target
Name:
Beta-lactamase
Synonyms:
Beta-lactamase | metallo-beta-lactamase IMP-1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
27125.88
Organism:
Pseudomonas aeruginosa
Description:
gi_27368096
Residue:
246
Sequence:
MSKLSVFFIFLFCSIATAAESLPDLKIEKLDEGVYVHTSFEEVNGWGVVPKHGLVVLVNAEAYLIDTPFTAKDTEKLVTWFVERGYKIKGSISSHFHSDSTGGIEWLNSRSIPTYASELTNELLKKDGKVQATNSFSGVNYWLVKNKIEVFYPGPGHTPDNVVVWLPERKILFGGCFIKPYGLGNLGDANIEAWPKSAKLLKSKYGKAKLVVPSHSEVGDASLLKLTLEQAVKGLNESKKPSKPSN
  
Inhibitor
Name:
BDBM51969
Synonyms:
3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione | 3-(4-chloro-1,5-dimethyl-3-pyrazolyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione | 3-(4-chloro-1,5-dimethyl-pyrazol-3-yl)-4-(p-tolyl)-1H-1,2,4-triazole-5-thione | 3-(4-chloro-1,5-dimethylpyrazol-3-yl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione | 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol | MLS000544427 | SMR000159954 | cid_752826
Type:
Small organic molecule
Emp. Form.:
C14H14ClN5S
Mol. Mass.:
319.812
SMILES:
Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(C)cc1
Structure:
Search PDB for entries with ligand similarity: